Drug Information

Drug General Information
Drug ID
D0I7DH
Former ID
DNC007839
Drug Name
(E)-1-(4-heptylphenyl)but-2-en-1-one
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529081]
Structure
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2D MOL

3D MOL
Formula
C17H24O
Canonical SMILES
CCCCCCCC1=CC=C(C=C1)C(=O)C=CC
InChI
1S/C17H24O/c1-3-5-6-7-8-10-15-11-13-16(14-12-15)17(18)9-4-2/h4,9,11-14H,3,5-8,10H2,1-2H3/b9-4+
InChIKey
LCSOCUYXJADQCV-RUDMXATFSA-N
PubChem Compound ID
23635476
Target and Pathway
Target(s) Thyroid hormone receptor beta-1 Target Info Inhibitor [529081]
Thyroid hormone receptor alpha Target Info Inhibitor [529081]
KEGG Pathway Neuroactive ligand-receptor interaction
Thyroid hormone signaling pathwayhsa04080:Neuroactive ligand-receptor interaction
Thyroid hormone signaling pathway
Pathway Interaction Database RXR and RAR heterodimerization with other nuclear receptorrxr_vdr_pathway:RXR and RAR heterodimerization with other nuclear receptor
Reactome Nuclear Receptor transcription pathwayR-HSA-383280:Nuclear Receptor transcription pathway
WikiPathways SIDS Susceptibility Pathways
Hematopoietic Stem Cell Differentiation
Nuclear ReceptorsWP474:Endochondral Ossification
Nuclear Receptors
References
Ref 529081J Med Chem. 2007 Nov 1;50(22):5269-80. Epub 2007 Oct 5.Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships.
Ref 529081J Med Chem. 2007 Nov 1;50(22):5269-80. Epub 2007 Oct 5.Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships.

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